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Methyl 4-Ethyl-3-hydroxy-6-[(naphthalen-2-yl)sulfanyl]-1,1'-biphenyl-2-carboxylate
SpectraBase Compound ID 2REa6jFik4d
InChI InChI=1S/C26H22O3S/c1-3-17-16-22(30-21-14-13-18-9-7-8-12-20(18)15-21)23(19-10-5-4-6-11-19)24(25(17)27)26(28)29-2/h4-16,27H,3H2,1-2H3
InChIKey MTPSIQSVKRDGIB-UHFFFAOYSA-N
Mol Weight 414.52 g/mol
Molecular Formula C26H22O3S
Exact Mass 414.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10nVdJyoatk
Name Methyl 4-Ethyl-3-hydroxy-6-[(naphthalen-2-yl)sulfanyl]-1,1'-biphenyl-2-carboxylate
Alternate Name(s) Methyl 4-ethyl-3-hydroxy-6-(naphthalen-2-ylthio)-[1,1'-biphenyl]-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22O3S
InChI InChI=1S/C26H22O3S/c1-3-17-16-22(30-21-14-13-18-9-7-8-12-20(18)15-21)23(19-10-5-4-6-11-19)24(25(17)27)26(28)29-2/h4-16,27H,3H2,1-2H3
InChIKey MTPSIQSVKRDGIB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900393
Molecular Weight 414.519 g/mol
SMILES Oc1c(C(=O)OC)c(-c2ccccc2)c(Sc2cc3c(cc2)cccc3)cc1CC
SPLASH splash10-01q9-1549300000-80a64d04b0903cbf7636
Source of Spectrum H-93-1620-5q
Wiley ID 1784067